Connecting Sequence, Conformation, and Dynamics in Synthetic Polymers

ORAL  · Invited

Abstract

Advances in sequence-controlled polymer synthesis and biomimetic design demand a deeper understanding of macromolecular dynamics and interactions in solution. Here, we use scattering, spectroscopic, and computational methods to probe how sequence and composition modulate conformational behavior in synthetic bioinspired macromolecules. Systematic variations in monomer placement and hydrophobic content reveal distinct domains, from local segmental mobility to cooperative chain collapse and mesoscale reorganization. These transitions correlate with measurable changes in scattering profiles and spectroscopic signatures, linking molecular-scale heterogeneity to emergent structural order. The results highlight how subtle sequence features encode dynamic behavior, offering design principles for polymeric materials with tunable assemblies and functions. This work demonstrates the utility of advanced characterization techniques for connecting molecular interactions to functional material performance in complex solutions.

*This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award DE-SC002195.

Publication: Bogen, M.P.; Swofford, W.M.; Chittari, S.S.; Knight, A.S. Structure-Function Relationships in Sequence-Controlled Copolymers for Rare Earth Element Chelation. 2025. J. Am. Chem. Soc. ASAP. DOI: https://doi.org/10.1021/jacs.5c07853

Chittari, S.S.; Dykeman-Bermingham, P.A.; Elder, B.M.; Knight, A.S. Bottom-up simulation, reconstruction, and quantification of macromolecule sequences from experimental polymerizations. 2025. Macromolecules. Accepted.

Chittari, S.S.; Dykeman-Bermingham, P.A.; Bogen, M.P.; Knight, A.S.; Structure-Function Insights into Thermoresponsive Copolymers as Lanthanide Precipitants. 2024. J. Am. Chem. Soc. 146, 33499-33508. DOI: 10.1021/jacs.4c10427

Dykeman-Bermingham, P.A.; Stingaciu, L.R.; Do, C.; Knight, A.S.; Dynamic Implications of Noncovalent Interactions in Single-Chain Polymer Nanoparticles. 2024. ACS Macro Lett. 13, 889-895. DOI: 10.1021/acsmacrolett.4c00269

Presenters

  • Abigail Knight

    • University of North Carolina Chappell Hill

Authors

  • Abigail Knight

    • University of North Carolina Chappell Hill